2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C23H27N3O2S — CID 56570966

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1c(C)cc(CN(C)CC(=O)NC(c2ccccc2)c2nccs2)cc1C
InChIInChI=1S/C23H27N3O2S/c1-16-12-18(13-17(2)22(16)28-4)14-26(3)15-20(27)25-21(23-24-10-11-29-23)19-8-6-5-7-9-19/h5-13,21H,14-15H2,1-4H3,(H,25,27)
InChIKeyGILXIZDQKZHKOH-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.11
Rot. Bonds8

About 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56570966) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56570966
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1c(C)cc(CN(C)CC(=O)NC(c2ccccc2)c2nccs2)cc1C
InChIInChI=1S/C23H27N3O2S/c1-16-12-18(13-17(2)22(16)28-4)14-26(3)15-20(27)25-21(23-24-10-11-29-23)19-8-6-5-7-9-19/h5-13,21H,14-15H2,1-4H3,(H,25,27)
InChIKeyGILXIZDQKZHKOH-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571116
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571196
N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17427445
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
2-[2-aminoethyl(2-phenylethyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 120872071
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570887
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56570966) is 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is COc1c(C)cc(CN(C)CC(=O)NC(c2ccccc2)c2nccs2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is GILXIZDQKZHKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16-12-18(13-17(2)22(16)28-4)14-26(3)15-20(27)25-21(23-24-10-11-29-23)19-8-6-5-7-9-19/h5-13,21H,14-15H2,1-4H3,(H,25,27).
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56570966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).